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This study presents a parallel algorithm for high-dimensional quantum dynamics simulations in poly atomic reactions, integrating distributed- and shared-memory models. The distributions of the wave function and potential energy matrix across message passing interface processes are based on bundled radial and angular dimensions, with implementations featuring either two- or one-sided communication schemes. Using realistic parameters for the H + NH3 reaction, performance assessment reveals linear scalability, exceeding 90% efficiency with up to 600 processors. In addition, owing to the universal and concise structure, the algorithm demonstrates remarkable extensibility to diverse reaction systems, as demonstrated by successes with six-atom and four-atom reactions. This work establishes a robust foundation for high-dimensional dynamics studies, showcasing the algorithm's efficiency, scalability, and adaptability. The algorithm's potential as a valuable tool for unraveling quantum dynamics complexities is underscored, paving the way for future advancements in the field. [ABSTRACT FROM AUTHOR]

Free energy simulations that employ combined quantum mechanical and molecular mechanical (QM/MM) potentials at ab initio QM (AI) levels are computationally highly demanding. Here, we present a machine-learning-facilitated approach for obtaining AI/MM-quality free energy profiles at the cost of efficient semiempirical QM/MM (SE/MM) methods. Specifically, we use Gaussian process regression (GPR) to learn the potential energy corrections needed for an SE/MM level to match an AI/MM target along the minimum free energy path (MFEP). Force modification using gradients of the GPR potential allows us to improve configurational sampling and update the MFEP. To adaptively train our model, we further employ the sparse variational GP (SVGP) and streaming sparse GPR (SSGPR) methods, which efficiently incorporate previous sample information without significantly increasing the training data size. We applied the QM-(SS)GPR/MM method to the solution-phase SN2 Menshutkin reaction, N H 3 + C H 3 C l → C H 3 N H 3 + + C l − , using AM1/MM and B3LYP/6-31+G(d,p)/MM as the base and target levels, respectively. For 4000 configurations sampled along the MFEP, the iteratively optimized AM1-SSGPR-4/MM model reduces the energy error in AM1/MM from 18.2 to 4.4 kcal/mol. Although not explicitly fitting forces, our method also reduces the key internal force errors from 25.5 to 11.1 kcal/mol/ A ̊ and from 30.2 to 10.3 kcal/mol/ A ̊ for the N–C and C–Cl bonds, respectively. Compared to the uncorrected simulations, the AM1-SSGPR-4/MM method lowers the predicted free energy barrier from 28.7 to 11.7 kcal/mol and decreases the reaction free energy from −12.4 to −41.9 kcal/mol, bringing these results into closer agreement with their AI/MM and experimental benchmarks. [ABSTRACT FROM AUTHOR]

Tritium self-sufficiency in fusion nuclear reactors will be based on the neutron capture by lithium in the so-called breeding blankets of the reactor, a nuclear reaction that will produce helium along with tritium. The low solubility of helium in liquid metals could cause the eventual formation of helium bubbles, which may have a negative impact on the performance of the breeding blanket in a way that has yet to be fully understood. In this work, we provide deep insight into the behavior of lithium and helium mixtures at experimentally operating conditions (800 K and pressures between 1 and 100 bars) using a microscopic model suitable to describe the interactions between helium and lithium at the atomic level, in excellent agreement with available experimental data. The simulations predict the formation of helium bubbles with radii around 10 Å at ambient pressure with surface tension values in the range of 0.6–1.0 N/m. We also report the cohesive energies of helium and the work of formation of the cluster of atoms, as well as a quantitative estimation of the Hildebrand and Kumar cohesion parameters. Our results indicate that the segregation between He and Li atoms is strong, and once a bubble is formed, it never dissociates. [ABSTRACT FROM AUTHOR]

Keywords: Oppenheimer; movie; Manhattan project; Christopher Nolan; atomic bomb; American Prometheus EN Oppenheimer movie Manhattan project Christopher Nolan atomic bomb American Prometheus 203 209 7 07/19/23 20230701 NES 230701 In the middle of May, I drove to Universal Studios Hollywood and proceeded, per instruction, to Jurassic Parking (yes, that really is the name of the parking garage). After the screening, I drove to a leafy and placid part of Hollywood and what appeared to be a converted residence that serves as an editing studio, where I spoke with Nolan about how he came to choose J. Robert Oppenheimer, the enigmatic director of the Los Alamos laboratory that birthed the atomic bomb, as the subject of a mass-market film. Just talk a little bit about what the process of getting to a movie is. B Nolan: b The process was an interesting one because of everything that makes I American Prometheus i firstly such a brilliant record of Oppenheimer's life and interpretation of Oppenheimer's life. Director Christopher Nolan (r) directs Cillian Murphy (l) - the actor portraying J. Robert Oppenheimer in the film - on the set of Oppenheimer. [Extracted from the article]

Material expelled from binary neutron star (BNS) mergers can harbour r-process nucleosynthesis and power a kilonova (KN), both intimately related to the astrophysical conditions of the ejection. In turn such conditions indirectly depend on the equation of state (EOS) describing matter inside the neutron star. Therefore, in principle the above observables can hold valuable information on nuclear matter, as the merger gravitational wave signal already does. In this work, we consider the outcome of a set of BNS merger simulations employing different finite-temperature nuclear EOSs. The latter are obtained from a Skyrme-type interaction model where nuclear properties, such as the incompressibility and the nucleon effective mass at saturation density, are systematically varied. We post-process the ejecta using a reaction network coupled with a semi-analytic KN model, to assess the sensitivity on the input EOS of the final yields and the KN light curves. Both of them are found to be non-trivially influenced by the EOS, with the overall outcome being dominated by the heterogeneous outflows from the remnant disc, hosting a variable degree of neutron-rich material. The dynamical ejecta can be more directly related to the EOS parameters considered; however, we find their role in the yields production and the KN emission too entangled with the other ejecta components, in order to infer solid correlations. This result highlights the strong degeneracy that intervenes between the merger outcome and the behaviour of the intrinsic nuclear matter, and places itself as a limit to the employment of EOS-constraining approaches of such kind. [ABSTRACT FROM AUTHOR]

We compute the structure of a Newtonian, multi-ion radiation-mediated shock (RMS) for different compositions anticipated in various stellar explosions. We use a multifluid RMS model that incorporates electrostatic coupling between the different plasma constituents as well as Coulomb friction in a self-consistent manner, and approximates the effect of pair creation and the presence of free neutrons in the shock upstream on the shock structure. We find that under certain conditions a significant velocity separation is developed between different ions in the shock downstream and demonstrate that in fast enough shocks ion–ion collisions may trigger fusion and fission events at a relatively high rate. Our analysis ignores anomalous coupling through plasma microturbulence, which might reduce the velocity spread downstream below the activation energy for nuclear reactions. A rough estimate of the scale separation in RMS suggests that for shocks propagating in binary neutron star (BNS) merger ejecta, the anomalous coupling length may exceed the radiation length, allowing a considerable composition change behind the shock via inelastic collisions of |$\alpha$| particles with heavy elements at shock velocities |$\beta _\mathrm{ u}\gtrsim 0.25$|⁠. A sufficient abundance of free neutrons in the shock upstream, as expected during the first second after the merger, is also expected to alter the ejecta composition through neutron capture downstream. The resultant change in the composition profile may affect the properties of the early kilonova emission. The generation of microturbulence due to velocity separation can also give rise to particle acceleration that might alter the breakout signal in supernovae and other systems. [ABSTRACT FROM AUTHOR]

Gas-phase abundance ratios between C2H4O2 isomers methyl formate (MF), glycolaldehyde (GA), and acetic acid (AA) are typically on the order of 100:10:1 in star-forming regions. However, an unexplained divergence from this neat relationship was recently observed toward a collection of sources in the massive protocluster NGC 6334I; some sources exhibited extreme MF:GA ratios, producing a bimodal behavior between different sources, while the MF:AA ratio remained stable. Here, we use a three-phase gas-grain hot-core chemical model to study the effects of a large parameter space on the simulated C2H4O2 abundances. A combination of high gas densities and long timescales during ice-mantle desorption (∼125–160 K) appears to be the physical cause of the high MF:GA ratios. The main chemical mechanism for GA destruction occurring under these conditions is the rapid adsorption and reaction of atomic H with GA on the ice surfaces before it has time to desorb. The different binding energies of MF and GA on water ice are crucial to the selectivity of the surface destruction mechanism; individual MF molecules rapidly escape the surface when exposed by water loss, while GA lingers and is destroyed by H. Moderately elevated cosmic-ray ionization rates can increase absolute levels of "complex organic molecule" (COM) production in the ices and increase the MF:GA ratio, but extreme values are destructive for gas-phase COMs. We speculate that the high densities required for extreme MF:GA ratios could be evidence of COM emission dominated by COMs desorbing within a circumstellar disk. [ABSTRACT FROM AUTHOR]

In nuclear medicine radionuclides are used in diagnosis and therapy. They can be produced in cyclotrons with different nuclear reactions. Overall goal is the optimization of the yield of the desired radionuclide which is possible by changing different experimental parameters. To test the influence of these parameters to obtain an optimal yield, simulation programs like PHITS and FLUKA can be used. In first studies (see Klink et al. [Testing the suitability of FLUKA and PHITS to predict the outcome of radionuclide production. Radiat. Eff. Defects Solids2023, 178 (1–2), 111–125]) the experimental yields of nuclide productions were compared with simulation results of different target designs with perpendicular and inclined configuration. In this paper we focus on the effect of inclination since it was one of the problematic cases of the previous study [Klink et al. Testing the suitability of FLUKA and PHITS to predict the outcome of radionuclide production. Radiat. Eff. Defects Solids2023, 178 (1–2), 111–125]. Different beam profiles were varied in the simulations to determine its influence on the simulated yields. The choice of the beam profile has a great influence on simulating irradiations of inclined targets. With a known beam profile and other experimental conditions, FLUKA can be used to simulate nuclide productions of inclined targets with small deviations compared to the experimental yields. In conclusion, FLUKA can be used to determine the yield of unknown nuclide production with different target designs. [ABSTRACT FROM AUTHOR]

Strong metallicity-dependent winds dominate the evolution of core He-burning, classical Wolf–Rayet (cWR) stars, which eject both H and He-fusion products such as |$^{14}$| N, |$^{12}$| C, |$^{16}$| O, |$^{19}$| F, |$^{22}$| Ne, and |$^{23}$| Na during their evolution. The chemical enrichment from cWRs can be significant. cWR stars are also key sources for neutron production relevant for the weak s-process. We calculate stellar models of cWRs at solar metallicity for a range of initial Helium star masses (12–50  |$\rm M_{\odot }$|⁠), adopting recent hydrodynamical wind rates. Stellar wind yields are provided for the entire post-main sequence evolution until core O-exhaustion. While literature has previously considered cWRs as a viable source of the radioisotope |$^{26}$| Al, we confirm that negligible |$^{26}$| Al is ejected by cWRs since it has decayed to |$^{26}$| Mg or proton-captured to |$^{27}$| Al. However, in Paper I, we showed that very massive stars eject substantial quantities of |$^{26}$| Al, among other elements including N, Ne, and Na, already from the zero-age-main-sequence. Here, we examine the production of |$^{19}$| F and find that even with lower mass-loss rates than previous studies, our cWR models still eject substantial amounts of |$^{19}$| F. We provide central neutron densities (N |$_{n}$|⁠) of a 30  |$\rm M_{\odot }$| cWR compared with a 32  |$\rm M_{\odot }$| post-VMS WR and confirm that during core He-burning, cWRs produce a significant number of neutrons for the weak s-process via the |$^{22}$| Ne(⁠|$\alpha$|⁠ ,n) |$^{25}$| Mg reaction. Finally, we compare our cWR models with observed [Ne/He], [C/He], and [O/He] ratios of Galactic WC and WO stars. [ABSTRACT FROM AUTHOR]

One-dimensional (1D) stellar evolution models are widely used across various astrophysical fields, however they are still dominated by important uncertainties that deeply affect their predictive power. Among those, the merging of independent convective regions is a poorly understood phenomenon predicted by some 1D models but whose occurrence and impact in real stars remain very uncertain. Being an intrinsically multi-D phenomenon, it is challenging to predict the exact behaviour of shell mergers with 1D models. In this work, we conduct a detailed investigation of a multiple shell merging event in a 20 M |$_\odot$| star using 3D hydrodynamic simulations. Making use of the active tracers for composition and the nuclear network included in the 3D model, we study the merging not only from a dynamical standpoint but also considering its nucleosynthesis and energy generation. Our simulations confirm the occurrence of the merging also in 3D, but reveal significant differences from the 1D case. Specifically, we identify entrainment and the erosion of stable regions as the main mechanisms that drive the merging, we predict much faster convective velocities compared to the mixing-length theory velocities, and observe multiple burning phases within the same merged shell, with important effects for the chemical composition of the star, which presents a strongly asymmetric (dipolar) distribution. We expect that these differences will have important effects on the final structure of massive stars and thus their final collapse dynamics and possible supernova explosion, subsequently affecting the resulting nucleosynthesis and remnant. [ABSTRACT FROM AUTHOR]

Purpose: In this paper we compare the main AB-BNCT facilities worldwide in terms of neutron-producing nuclear reactions, existing technologies and machines, and induced radioactivity both at the target and at the beam shaping assembly (BSA) level, by the resulting neutron beam. We also provide information on several aspects of the Buenos Aires project. Methods: A comparison is made of the different active AB-BNCT projects and facilities worldwide using the information available in the literature. The radioactivity induced by both the direct beams (protons or deuterons) at the targets (7Li, 9Be and 13C) and the neutron beams at the BSAs is discussed. The main technical features of the Argentina project are presented. Results: There are a number of different facilities for Accelerator-Based BNCT (AB-BNCT) worldwide, some already working and even treating patients and some under development and construction. They range from high-energy 30 MeV cyclotrons (using the 9Be(p,n) reaction), medium-energy RFQ-DTL accelerators (at 8 and 10 MeV using likewise the 9Be(p,n) reaction), low-energy electrostatic, both Tandem and single-ended, and RFQ machines (working on 7Li(p,n) at about 2.5 MeV), to a very low-energy single-ended electrostatic quadrupole accelerator, ESQ (working on 9Be(d,n) or 13C(d,n) at 1.45 MeV). This last accelerator, its ancillary systems and the associated facility is being developed and constructed at the National Atomic Energy Commission of Argentina. An important aspect about these facilities, relevant for their long term sustainability, is the production of radioactivity, which should be kept at a minimum according to the ALARA criterium, both at the neutron production target, by the primary beam, and at the Beam Shaping Assembly (BSA), by the induced neutrons. In a 30 day period with an operation schedule of 8 h a day the 7Li(p,n) at 2.3 MeV option produces 2.1 TBq of 7Be (30 mA), the Be(p,n) option at 8 MeV only produces prompt radiation while at 30 MeV (1 mA) other reaction channels are open which produce 0.39 TBq of 7Be and 4.2 GBq of 3H. The 13C(d,t) reaction produces 0.78 GBq of 3H. Conclusions: The use of exothermal deuteron-induced Be(d,n) and 13C(d,n) reactions allows us to use the smallest energy machine, at 1.45 MeV, for AB-BNCT. It is shown that among the systems proposed the 13C(d,n) solution is the one with the lowest overall activation (target + BSA). Coupled to an AlF3 BSA (which undergoes no long term activation), a 30 mA deuteron beam on a 13C target can deliver a good quality BNCT treatment for a deep seated brain tumor in one hour. [ABSTRACT FROM AUTHOR]

Controlling the precise growth of atoms is necessary to achieve manipulation of atomic composition and atomic position, regulation of electronic structure, and an understanding of reactions at the atomic level. Herein, we report a facile method for ordered anchoring of zero-valent platinum and manganese atoms with single-atom thickness on graphdiyne under mild conditions. Due to strong and incomplete charge transfer between graphdiyne and metal atoms, the formation of metal clusters and nanoparticles can be inhibited. The size, composition and structure of the bimetallic nanoplates are precisely controlled by the natural structure-limiting effect of graphdiyne. Experimental characterization clearly demonstrates such a fine control process. Electrochemical measurements show that the active site of platinum-manganese interface on graphdiyne guarantees the high catalytic activity and selectivity (~100%) for alkene-to-diol conversion. This work lays a solid foundation for obtaining high-performance nanomaterials by the atomic engineering of active site. This work reports a facile method for growing highly ordered Pt and Mn bimetallic single atomic layers on graphdiyne. This fully activates loaded metal atoms and results in in high activity and selectivity for electrocatalytic alkene-to-diol conversion [ABSTRACT FROM AUTHOR]

Lithium has broad applications in several emerging industries and fields, including high energy batteries, energy storage, aerospace, and controlled nuclear reactions. Currently, the discrepancy between the supply and demand for lithium resources increases, and its distribution is uneven. Within the framework of the "Belt and Road" Initiative, the lithium trade pattern evolves constantly. However, the trade pattern of lithium in the nations along the "Belt and Road" is likely to face substantial repercussions in modern world of unilateral protectionism and geopolitical conflicts. Taking the social network analysis approach as a tool, this study first examines the characteristics of the lithium trade network structure as it has evolved over the years in the Belt and Road countries, from 2000 to 2022. Additionally, this study uses the quadratic assignment problem approach to analyze the factors influencing the evolution of the lithium trade network. The study shows that: (1) The spatial patterns of import and export trade network of lithium in countries along the route has a certain path dependence. And the market is mainly concentrated in East Asia, Central and Eastern Europe, South America and Southeast Asia. (2) The network density of the countries along the route has increased year after year, but it remains low. And the fluctuation of the network's reciprocity has increased, with a huge magnitude of variation. The number of core countries in the network has decreased over time, but the core-periphery structure has stayed largely steady. China, Chile, and South Korea are the network's main node countries. (3) Regarding the influencing factors, the differences in economic and technological development between these countries have a beneficial impact on the formation of lithium trade; whether or not regional trade agreements have been signed, the differences about average tax rates for mineral products, bordering countries, and similar languages and cultures are all conducive to the establishment of close trade links. The contribution of this essay is of paramount importance for understanding different countries' role along the Belt and Road in the lithium trade network pattern, and promoting regional trade cooperation. [ABSTRACT FROM AUTHOR]

Developing atomically dispersed metal on nitrogen‐doped carbon (M─N─C) catalyst provides a promising strategy to convert CO2 into high‐valued chemicals and achieve artificially closed carbon cycles. However, it is challenging to tune the structure and coordination of N─M bond that further improve the intrinsic activity and selectivity of CO2RR. Herein, CuNi atomic clusters embedded in Ni/Cu dual atomic sites catalysts (CuNiAC@Ni/Cu─N─C) are designed and successfully manipulated to regulate the coordination environment for M─N─C catalysts to enhance the CO2 electroreduction reaction (CO2RR). The most active configuration in CuNiAC@Ni/Cu─N─C catalyst is CuNi atomic cluster connected with 2N‐bridged (Ni‐Cu)N5, in which two N atoms are shared with NiN4 and CuN3 moieties verified by both systematic advanced characterizations and density function theory (DFT) calculations. The results have revealed the integration between CuNi atomic cluster and N4Ni/CuN3 dual‐metal atomic sites that optimize the electronic redistribution and narrow the bandgap, thereby decreasing the energy barrier of the potential determination step and promoting CO production. [ABSTRACT FROM AUTHOR]

In actual atmospheric environments, Ni/Al composites subjected to high-velocity impact will undergo both intermetallic reaction and oxidative combustion simultaneously, and the coupling of mechanical and multiple chemical processes leads to extremely complex characteristics of energy release. This work employs ReaxFF molecular dynamics simulations to investigate the impact-induced deformation and energy release of a core–shell-structured Ni/Al nanoparticle in an oxygen environment. It was found that Al directly undergoes fragmentation, while Ni experiences plastic deformation, melting, and fragmentation in sequence as the impact velocity increased. This results in the final morphology of the nanoparticles being an ellipsoidal-clad nanoparticle, spherical Ni/Al melt, and debris cloud. Furthermore, these deformation characteristics are strongly related to the material property of the shell, manifested as Ni shell–Al core particle, being more prone to breakage. Interestingly, the dissociation phenomenon of Ni–Al–O clusters during deformation is observed, which is driven by Ni dissociation and Al oxidation. In addition, the energy release is strongly related to the deformation behavior. When the nanoparticle is not completely broken (Ni undergoes plastic deformation and melting), the energy release comes from the oxidative combustion of Al fragments and the intermetallic reaction driven by atomic mixing. When the nanoparticle is completely broken, the energy release mainly comes from the oxidative combustion of the debris cloud. At the same time, the promoting effect of oxygen concentration on the energy release efficiency is examined. These findings can provide atomic insights into the regulation of impact-induced energy release for reactive intermetallic materials. [ABSTRACT FROM AUTHOR]

Li–Al–O materials are interesting for several applications. Herein, a Li–Al–O thin‐film materials library, deposited by inert magnetron sputtering and postdeposition annealing in O2 atmosphere, is used to study the effects of different annealing temperatures (300–850 °C) and durations (1 min to 7 h) on crystallinity and composition of the films. X‐ray photoelectron spectroscopy depth profiling reveals inhomogeneous compositional depth profiles of conventionally annealed films (300–650 °C, 3–7 h) with increased Li contents toward the film surface and increased Al contents toward the film–substrate interface, as confirmed by a combination of Rutherford backscattering spectrometry and deuteron‐induced nuclear reaction analysis. The minimum temperature for the formation of crystalline LiAlO2 in the otherwise amorphous films is 550 °C. The undesired inhomogeneous depth profiles are transformed into homogeneous ones by rapid thermal annealing (750–850 °C, 1–10 min), while simultaneously causing the formation of crystalline LiAlO2. Therefore, rapid thermal annealing is shown to be more suitable than conventional annealing for the thermal processing of Li–Al–O thin films. Moreover, this conclusion is expected to have broader relevance beyond Li–Al–O materials, as it is likely to apply to other Li metal oxides, of which there are many technologically relevant ones. [ABSTRACT FROM AUTHOR]

Based on the ab initio scheme developed by the authors for calculating the asymptotic characteristics of decay channels of nuclear states—the method of orthogonal functions of cluster channels—an approach has been created that makes it possible to directly implement the results of ab initio calculations of -nucleon wave functions, as well as the partial decay widths of resonant states of compound nucleus obtained through their use, into calculations of cross sections for resonance nuclear reactions. Both calculated and reliably measured resonance energies can be employed in these calculations. Using the examples of such a theoretical analysis of the reaction cross sections for He and He, the efficiency of this approach and the wide prospects of its use in nuclear spectroscopy are demonstrated. [ABSTRACT FROM AUTHOR]

Fuel retention in plasma-facing components (PFCs) is a critical issue in future nuclear fusion reactors operating with Deuterium-Tritium (DT) regarding nuclear safety and fulfillment of the T cycle. However, during DT plasma operation, highly energetic neutrons will induce damage in the lattice of W PFCs causing enhanced fuel retention in defects or traps. Laser-Induced Breakdown Spectroscopy (LIBS) is a potential tool to monitor the T-content in situ in PFCs of future nuclear fusion devices. This article presents an ex situ study on pre-damaged W material after D plasma exposure to qualify the method and mimic conditions expected in a reactor. ITER grade W samples were displacement-damaged by 10.8 MeV W ions to a damage dose of 0.23 dpa and exposed to low temperature deuterium plasma at low energy in PlaQ. The resulting deuterium concentration was analyzed by using 3He Nuclear Reaction Analysis (depth resolution of ≈ 150 nm) as a well-established method, and LIBS (picosecond laser pulses, depth resolution of 15 nm). The sample with the highest deuterium concentration showed a deuterium-rich zone up to a depth of 1.13 μm using both techniques. This is close to the expected W ion-induced damage depth of ≈ 1 μm. The results imply that LIBS as an in situ technique for tritium monitoring could be a viable option for a reactor. [ABSTRACT FROM AUTHOR]

The production of light, energetic and low-flux ions as a secondary beam caused by nuclear reaction can be used in various branches of nuclear physics. Due to the limited availability of energy in small laboratories equipped with electrostatic accelerators, accessing energetic light particles is crucial. For this purpose, selected nuclear reactions were introduced. In this research, primary proton, deuterium and helium-3 beams with energy less than 2 MeV were used for samples with a thickness of 1019 atom.cm-2 and the yield of reactions was obtained. The laboratory setup was designed in such a way that in addition to the access to the nuclear reaction products with a suitable yield, favorable conditions were provided for the extraction and transfer of the reaction products as well as their interaction with the sample. In these exothermic nuclear reactions, the yield is in the order of 106 particles and secondary proton and alpha particles with energies of 4 to18.5 MeV have been obtained. Also, the selected reactions are in accordance with the radiation protection protocols of similar laboratories. [ABSTRACT FROM AUTHOR]

Excitation functions of alpha-particle induced nuclear reactions on natSn have been presented in the 11–40 MeV energy range. In the present study, the stacked-foil activation technique followed by offline gamma-ray spectrometry was used to measure the production of 119Te, 121Te, 122Sb and 126Sb from alpha-particle induced reactions on natSn. The TALYS nuclear code was used to calculate the theoretical predictions of the excitation functions of natSn(α,x) nuclear reactions. The measured data of the above-mentioned nuclear reactions were compared with the theoretical predictions and the experimental results available from EXFOR. In this study, covariance analysis was performed to calculate the uncertainty propagation in the measured cross sections. [ABSTRACT FROM AUTHOR]

We report isotope data for C, N, Al, Si, and S of 33 presolar SiC and Si3N4 grains (0.3–1.6  |$\mu$| m) of Type X, C, D, and N from the Murchison CM2 meteorite of likely core-collapse supernova (CCSN) origin which we discuss together with data of six SiC X grains from an earlier study. The isotope data are discussed in the context of hydrogen ingestion supernova (SN) models. We have modified previously used ad-hoc mixing schemes in that we considered (i) heterogeneous H ingestion into the He shell of the pre-SN star, (ii) a variable C-N fractionation for the condensation of SiC grains in the SN ejecta, and (iii) smaller mass units for better fine-tuning. With our modified ad-hoc mixing approach over small scales (0.2–0.4 M⊙), with major contributions from the O-rich O/nova zone, we find remarkably good fits (within a few per cent) for 12C/13C, 26Al/27Al, and 29Si/28Si ratios. The 14N/15N ratio of SiC grains can be well matched if variable C-N fractionation is considered. However, the Si3N4 isotope data point to overproduction of 15N in hydrogen ingestion CCSN models and lower C-N fractionation during SiC condensation than applied here. Our ad-hoc mixing approach based on current CCSN models suggests that the O-rich O/nova zone, which uniquely combines explosive H- and He-burning signatures, is favourable for SiC and Si3N4 formation. The effective range of C/O abundance variations in the He shell triggered by H ingestion events in the massive star progenitor is currently not well constrained and needs further investigation. [ABSTRACT FROM AUTHOR]

This article discusses the field of nuclear physics and its various applications and frontiers. It highlights the importance of collaboration between theory and experiment in making breakthroughs in the field. The article includes contributions from researchers in different subfields of nuclear physics, such as nuclear structure, reactions, dynamics, hadron physics, nuclear astrophysics, and neutrino physics. It also discusses the use of different methodologies, including Monte Carlo approaches and ab initio methods. The article concludes by mentioning upcoming facilities and future opportunities for nuclear physics research. [Extracted from the article]

Well-developed α clusters are known to exist in light N=Z nuclei, and their properties are reasonably well described with modern nuclear structure theories. However, 'modestly' developed clusters in medium to heavy nuclei remain little understood, both theoretically and experimentally. Extension of the focus to include modestly developed clusters leads us to a concept of 'generalized clusters' and 'cluster ubiquitousness'. The former includes clusters more weakly bound than an α cluster, such as deuteron, triton and He3 , and even clusters partially broken owing to nuclear medium effects. The latter means the existence of clusters in any nuclei, where cluster development was not previously discussed. Effects of the tensor and the spin–orbit interactions on the coexistence of clusters with independent nucleons are discussed using recent nuclear theoretical models. A mixture of the clusters with shell-like components plays an essential role in the synthesis of elements in the universe and the origin of life, together with an α decay. It is also pointed out that clustering in heavy nuclei may accelerate fission and fusion processes. Future experimental plans using cluster knockout reactions, which have the potential to extract information of 'generalized clusters' in a variety of nuclei including stable and unstable nuclei, are also discussed. This article is part of the theme issue 'The liminal position of Nuclear Physics: from hadrons to neutron stars'. [ABSTRACT FROM AUTHOR]

The Facility for Antiproton and Ion Research (FAIR) is in its final construction stage next to the campus of the Gesellschaft für Schwerionenforschung Helmholtzzentrum for heavy-ion research in Darmstadt, Germany. Once it starts its operation, it will be the main nuclear physics research facility in many basic sciences and their applications in Europe for the coming decades. Owing to the ability of the new fragment separator, Super-FRagment Separator, to produce high-intensity radioactive ion beams in the energy range up to about 2 GeV/nucleon, these can be used in various nuclear reactions. This opens a unique opportunity for various nuclear structure studies across a range of fields and scales: from low-energy physics via the investigation of multi-neutron systems and halos to high-density nuclear matter and the equation of state, following heavy-ion collisions, fission and study of short-range correlations in nuclei and hypernuclei. The newly developed reactions with relativistic radioactive beams (R3B) set up at FAIR would be the most suitable and versatile for such studies. An overview of highlighted physics cases foreseen at R3B is given, along with possible future opportunities, at FAIR. This article is part of the theme issue 'The liminal position of Nuclear Physics: from hadrons to neutron stars'. [ABSTRACT FROM AUTHOR]

Nuclear reaction cross sections for the formation of 72As and 71As in proton-induced reactions on enriched 72Ge targets were measured up to 45 MeV utilizing three different cyclotrons at the Forschungszentrum Jülich. The stacked-thin sample activation technique in combination with high-resolution γ-ray spectrometry was used. The major γ-ray peaks of 72As and 71As formed via the 72Ge(p,n)72As and 72Ge(p,2n)71As reactions, respectively, were analyzed. The incident proton energy and flux on a foil were determined using several monitor reactions. Based on integrated counts, irradiation data and the nuclear decay data, the reaction cross sections were measured. All data describe the first measurements. Theoretical nuclear model calculations were then carried out by using the codes TALYS 1.96, EMPIRE 3.2 and ALICE-IPPE. A very good agreement between the measured data and calculated values was found. The new data enabled us to calculate the thick target yields and estimate the radionuclidic impurities for a given energy range. Over the optimum energy range Ep = 14 → 7 MeV, the calculated thick target yield of 72As amounts to 272 MBq/μAh with no 71As impurity at all. The 72Ge(p,n)72As reaction on the enriched 72Ge is thus very suitable for clinical scale production of 72As at a medical cyclotron. [ABSTRACT FROM AUTHOR]

Context. The production of neutron-rich elements at neutron densities intermediate to those of the s- and r-processes, the so-called i-process, has been identified as possibly being responsible for the observed abundance pattern found in certain carbon-enhanced metal-poor (CEMP) stars. The production site may be low-metallicity stars on the asymptotic giant branch (AGB) where the physical processes during the thermal pulses are not well known. Aims. We investigate the impact of overshoot from various convective boundaries during the AGB phase on proton ingestion events (PIEs) and the neutron densities as a necessary precondition for the i-process as well as on the structure and continued evolution of the models. Methods. We therefore analyzed models of a 1.2 M⊙, Z = 5 × 10−5 star. A fiducial model without overshoot on the AGB (overshoot was applied during the pre-AGB evolution) serves as a reference. The same model was then run with various overshoot values and the resulting models were compared to one another. Light element nucleosynthesis is also discussed. Additionally, we introduce a new timescale argument to predict PIE occurrence to discriminate between a physical and a numerical reason for a nonoccurrence. A comparison to observations as well as previous studies was conducted before finally presenting the most promising choice of overshoot parameters for the occurrence of the i-process in low-mass, low-metallicity models. Results. The fiducial model reveals high neutron densities and a persistent split of the pulse-driven convection zone (PDCZ). Overshoot from the PDCZ results in either temporary or permanent remerging of the split PDCZ, influencing the star's structure and evolution. While both overshoot and non-overshoot models exhibit PIEs generating neutron densities suitable for the i-process, they lead to varied C/O and N/O ratios and notable Li enhancements. Comparison with previous studies and observations of CEMP-r/s stars suggests that while surface enhancements in our models may be exaggerated, abundance ratios align well. Though, for high values of overshoot from the PDCZ the agreement becomes worse. [ABSTRACT FROM AUTHOR]

Context. The oldest stars in the Milky Way are metal-poor with [Fe/H] < −1.0, displaying peculiar elemental abundances compared to solar values. The relative variations in the chemical compositions among stars is also increasing with decreasing stellar metallicity, allowing for the pure signature of unique nucleosynthesis processes to be revealed. The study of the r-process is, for instance, one of the main goals of stellar archaeology and metal-poor stars exhibit an unexpected complexity in the stellar production of the r-process elements in the early Galaxy. Aims. In this work, we report the atmospheric parameters, main dynamic properties, and the abundances of four metal-poor stars: HE 1523-0901, HD 6268, HD 121135, and HD 195636 (−1.5 > [Fe/H] > −3.0). Methods. The abundances were derived from spectra obtained with the HRS echelle spectrograph at the Southern African Large Telescope, using both local and non-local thermodynamic equilibrium (LTE and NLTE) approaches, with the average error between 0.10 and 0.20 dex. Results. Based on their kinematical properties, we show that HE 1523-0901 and HD 195636 are halo stars with typical high velocities. In particular, HD 121135 displays a peculiar kinematical behaviour, making it unclear whether it is a halo or an accreted star. Furthermore, HD 6268 is possibly a rare prototype of very metal-poor thick disk stars. The abundances derived for our stars are compared with theoretical stellar models and with other stars with similar metallicity values from the literature. Conclusions. HD 121135 is Al-poor and Sc-poor, compared to stars observed in the same metallicity range (−1.62 > [Fe/H] > −1.12). The most metal-poor stars in our sample, HE 1523-0901, HD 6268, and HD 195636, exhibit anomalies that are better explained by supernova models from fast-rotating stellar progenitors for elements up to the Fe group. Compared to other stars in the same metal-licity range, their common biggest anomaly is represented by the low Sc abundances. If we consider the elements beyond Zn, HE 1523-0901 can be classified as an r-II star, HD 6268 as an r-I candidate, and HD 195636 and HD 121135 exhibiting a borderline r-process enrichment between limited-r and r-I star. Significant relative differences are observed between the r-process signatures in these stars. [ABSTRACT FROM AUTHOR]

Context. An accurate 28P(p, γ)29S reaction rate is crucial to defining the nucleosynthesis products of explosive hydrogen burning in ONe novae. Using the recently released nuclear mass of 29S, together with a shell model and a direct capture calculation, we reanalyzed the 28P(p, γ)29S thermonuclear reaction rate and its astrophysical implication. Aims. We focus on improving the astrophysical rate for 28P(p, γ)29S based on the newest nuclear mass data. Our goal is to explore the impact of the new rate and associated uncertainties on the nova nucleosynthesis. Methods. We evaluated this reaction rate via the sum of the isolated resonance contribution instead of the previously used Hauser-Feshbach statistical model. The corresponding rate uncertainty at different energies was derived using a Monte Carlo method. Nova nucleosynthesis is computed with the 1D hydrodynamic code SHIVA. Results. The contribution from the capture on the first excited state at 105.64 keV in 28P is taken into account for the first time. We find that the capture rate on the first excited state in28 P is up to more than 12 times larger than the ground-state capture rate in the temperature region of 2.5 × 107 K to 4 × 108 K, resulting in the total 28P(p, γ)29S reaction rate being enhanced by a factor of up to 1.4 at ~1 × 109 K. In addition, the rate uncertainty has been quantified for the first time. It is found that the new rate is smaller than the previous statistical model rates, but it still agrees with them within uncertainties for nova temperatures. The statistical model appears to be roughly valid for the rate estimation of this reaction in the nova nucleosynthesis scenario. Using the 1D hydrodynamic code SHIVA, we performed the nucleosynthesis calculations in a nova explosion to investigate the impact of the new rates of 28P(p, γ)29S. Our calculations show that the nova abundance pattern is only marginally affected if we use our new rates with respect to the same simulations but statistical model rates. Finally, the isotopes whose abundance is most influenced by the present 28P(p, γ)29S uncertainty are 28Si, 33,34S, 35,37Cl, and 36Ar, with relative abundance changes at the level of only 3% to 4%. [ABSTRACT FROM AUTHOR]

The treatment of convection remains a major weakness in the modelling of stellar evolution with one-dimensional (1D) codes. The ever-increasing computing power makes now possible to simulate in three-dimensional (3D) part of a star for a fraction of its life, allowing us to study the full complexity of convective zones with hydrodynamics codes. Here, we performed state-of-the-art hydrodynamics simulations of turbulence in a neon-burning convective zone, during the late stage of the life of a massive star. We produced a set of simulations varying the resolution of the computing domain (from 1283 to 10243 cells) and the efficiency of the nuclear reactions (by boosting the energy generation rate from nominal to a factor of 1000). We analysed our results by the mean of Fourier transform of the velocity field, and mean-field decomposition of the various transport equations. Our results are in line with previous studies, showing that the behaviour of the bulk of the convective zone is already well captured at a relatively low resolution (2563), while the details of the convective boundaries require higher resolutions. The different boosting factors used show how various quantities (velocity, buoyancy, abundances, and abundance variances) depend on the energy generation rate. We found that for low boosting factors, convective zones are well mixed, validating the approach usually used in 1D stellar evolution codes. However, when nuclear burning and turbulent transport occur on the same time-scale, a more sophisticated treatment would be needed. This is typically the case when shell mergers occur. [ABSTRACT FROM AUTHOR]

This paper focuses on the theoretical study of the burning rate of D-T fuel in Z-pinch devices with magneto-inertial confinement. The investigated nuclear fusion process involved fast laser ignition of a mixed D-T fuel contained in a capsule at a temperature of 10 keV, influenced by a strong electromagnetic field. The D-T, D-D, D-3He, 3He-3He, and T-T fusion reactions were employed in the calculations. Based on modern experimental fit data of nuclear fusion reaction rates, the particle and energy balance equations, along with their numerical solutions, were considered, utilizing the ion densities of charged particles such as protons, deuterium, tritium, 3He, and 4He ions. The plasma was in a hot, ultra-dense state, under the quasi-neutrality condition, with initial deuterium and tritium densities of 5 × 10 23 cm−3 and an electron density of 10 × 10 23 cm−3. The ion and electron temperatures were considered equal in this paper. The time dependencies of the ion densities, plasma temperature, energy yield from charged ions and neutrons, fusion power density, and bremsstrahlung radiation loss were investigated. [ABSTRACT FROM AUTHOR]

Fluorine is one of the most interesting elements in nuclear astrophysics. Its abundance can provide important hints to constrain the stellar models since fluorine production and destruction are strictly connected to the physical conditions inside the stars. The F 19 (p,α)16O reaction is one of the fluorine burning processes and the correction evaluation of its reaction rate is of pivotal importance to evaluate the fluorine abundance. Moreover, the F 19 (p,α)16O reaction rate can have an impact for the production of calcium in the first-generation of Population III stars. Here, we present the AsFiN collaboration efforts to the study of the F 19 (p, α)16O reaction by means of direct and indirect measurements. On the direct measurements side, an experimental campaign aimed to the measurement of the F 19 (p, α 0 , π )16O reaction is ongoing, taking advantage of the new versatile arrays of silicon strip detectors, LHASA and ELISSA. Moreover, the Trojan Horse Method (THM) was used to determine the F 19 (p, α 0 )16O reaction S(E)-factor in the energy range of astrophysical interest ( E c m ≈ 0–1 MeV), showing, for the first time, the presence of resonant structures within the astrophysical energy range. THM has been also applied for the study of the F 19 (p, α π )16O reaction; data analysis is ongoing. [ABSTRACT FROM AUTHOR]

The catalytic conversion of carbon dioxide (CO2) to methane (CH4) through the "Sabatier reaction", also known as CO2 methanation, presents a promising avenue for establishing a closed carbon loop. However, the competitive reverse water gas shift (RWGS) reaction severely limits CH4 production at lower temperatures; therefore, developing highly efficient and selective catalysts for CO2 methanation is imperative. In this regard, we have developed a novel nanocatalyst comprising atomic scale Mn2O3 species decorated in the defect sites of TiO2-supported Ni-hydroxide nanoparticles with abundant oxygen vacancies (hereafter denoted as NiMn-1). The as-prepared NiMn-1 catalyst initiates the CO2 methanation at a temperature of 523 K and delivers an optimal CH4 production yield of 21,312 mmol g−1 h−1 with a CH4 selectivity as high as ~92% at 573 K, which is 45% higher as compared to its monometallic counterpart Ni-TiO2 (14,741 mmol g−1 h−1). Physical investigations combined with gas chromatography analysis corroborate that the exceptional activity and selectivity of the NiMn-1 catalyst stem from the synergistic cooperation between adjacent active sites on its surface. Specifically, the high density of oxygen vacancies in Ni-hydroxide and adjacent Mn2O3 domains facilitate CO2 activation, while the metallic Ni domains trigger H2 splitting. We envision that the obtained results pave the way for the design of highly active and selective catalysts for CO2 methanation. [ABSTRACT FROM AUTHOR]

The mass fractions of Fe and B as well as the isotopic compositions of B were non-destructively and simultaneously quantified in synthetically prepared ferroboron (Fe–B) alloys by external particle induced gamma ray emission (PIGE) method using a proton beam of 3.5 MeV. Powder samples were wrapped in a thin Mylar foil and kept in front of the target flange in the atmosphere for irradiation using an external PIGE set up. Characteristic prompt gamma rays of 56Fe(p,p′γ)56Fe (847 keV), 10B(p,αγ)10B (429 keV), 10B(p,p′γ)10B (718 keV) and 11B(p,p′γ)11B (2125 keV) nuclear reactions were measured together with external beam current normalizers of 136 keV of 181Ta(p,p′γ)181Ta (beam extraction/window material) and 2313 keV of 14N(p,p′γ)14N (atmospheric nitrogen) using an HPGe detector system. Boron mass fractions determined using 429 keV gives better precision than those determined using 718 and 2125 keV with 136 keV of Ta as a current normalizer after irradiating the samples only for 10–15 minutes owing to a high proton-induced thick target gamma ray yield of 429 keV at 3.5 MeV. Isotopic compositions of B determined with simple peak area ratios of 429 and 718 keV of 10B and 2125 keV of 11B are 0.248 (4) and 0.246 (2), respectively, which correspond to 19.8 atom% of 10B, i.e. natural sample. Mass fractions of Fe, which is the major constituent of Fe–B alloy, were also determined simultaneously with B. The advantage of this external PIGE method is the analysis of direct powder samples with minimal sample preparation providing high sample throughput and faster results with adequate accuracy and precision. [ABSTRACT FROM AUTHOR]

45Ti exhibits favorable decay properties for positron emission tomography (PET) imaging and can be easily produced by the bombardment of natural scandium (Sc) by protons using the 45Sc(p,n)45Ti nuclear reaction. However, separation of 45Ti from irradiated Sc targets is arduous due to the hydrolytic instability of Ti(IV) complexes, making it a significant bottleneck for routine application of this radionuclide. In the present work, we describe the development and optimization of an ion chromatographic separation method based on trapping of 45Ti on a hydroxamate-functionalized chelating resin and subsequent elution with oxalic acid at pH = 2.8. Under optimized conditions, this method enabled 45Ti-recovery of 61 ± 8% within 7 min. Sc contamination in scaled-up experiments was found to be only 3.0 ± 1.8 µg/mL. The resulting 45Ti-solution was directly used for complexation with CDTA as a model chelator, affording the corresponding [45Ti]Ti(cdta) complex with a radiochemical conversion of 73 ± 3%. Conclusively, this promising method could be transferred to automated synthesis modules and should enable the preparation of 45Ti-labeled compounds for PET imaging. [ABSTRACT FROM AUTHOR]

This paper considers secondary neutrons contribution to the yield of 99mTc obtained from the thick Mo-sample via (p,2n) nuclear reaction channel. The physical yield was determined experimentally using 11-MeV cyclotron Eclipse RD with application of the new target assembly developed for solid sample irradiations and appeared to be 30.9 ± 1.3 MBq/μAh. The neutron flux over the sample was analyzed by MCNP simulations taking into account the construction elements of the target module and cyclotron self-shielding. The contribution to the 99mTc yield by indirect production via 98Mo(n,γ)99Mo → 99mTc reactions was estimated. [ABSTRACT FROM AUTHOR]

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